SCHEMBL4522094

SCHEMBL4522094

CC(C)(Oc1ccc(Oc2cccc(Oc3ccc(Cl)cc3Oc3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
MEN1 O00255 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARD Q03181 8/20 0.54
PPARG P37231 11/20 0.52
FABP2 P12104 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.45
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE5A O76074 1/20 0.42
MAP4K4 O95819 1/20 0.42
KCNH2 Q12809 1/20 0.42
MINK1 Q8N4C8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13678669 0.92 PPARA (0.46) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL4527329 0.91 PPARA (0.61) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL987343 0.82 PPARA (0.67) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL9320807 0.80 PPARA (0.89) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL22209208 0.80 PPARG (0.74) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL4040746 0.76 PPARG (0.55) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL3374117 0.75 PPARA (0.64) PPARACYP2C19CYP1A2CYP3A4MEN1
SCHEMBL4522006 0.75 PPARD (0.65) PPARAPPARDPPARGLMNAL3MBTL1
Clofibric Acid SCHEMBL102826 0.75 PPARA (1.00) PPARACYP2C19CYP1A2CYP3A4MEN1
Clofibric Acid SCHEMBL2227936 0.75 PPARA (1.00) PPARACYP2C19CYP1A2CYP3A4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US claimed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US claimed
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD PPARA 1/4885CYP2C19 619/4885CYP1A2 531/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.